(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone

C13H18N2O — CID 103451065

IUPAC(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone
SMILESCCn1cc(C(=O)C2=CCC(C)CC2)cn1
InChIInChI=1S/C13H18N2O/c1-3-15-9-12(8-14-15)13(16)11-6-4-10(2)5-7-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyARIIINWBUZZYAN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.83
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone

(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone (PubChem CID 103451065) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone
PubChem CID103451065
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone
SMILESCCn1cc(C(=O)C2=CCC(C)CC2)cn1
InChIInChI=1S/C13H18N2O/c1-3-15-9-12(8-14-15)13(16)11-6-4-10(2)5-7-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyARIIINWBUZZYAN-UHFFFAOYSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone
CID 103451148
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
CID 114964350
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385636
(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
CID 105083220

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone (CID 103451065) is (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone is CCn1cc(C(=O)C2=CCC(C)CC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone?
The InChIKey is ARIIINWBUZZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-9-12(8-14-15)13(16)11-6-4-10(2)5-7-11/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone?
(1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(4-methylcyclohexen-1-yl)methanone is sourced from PubChem (CID 103451065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).